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2-[16-(2-Aminopropanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-1-methyl-2-oxoethylamine
SpectraBase Compound ID 1BoxigzAFQl
InChI InChI=1S/C18H36N4O6/c1-15(19)17(23)21-3-7-25-11-13-27-9-5-22(18(24)16(2)20)6-10-28-14-12-26-8-4-21/h15-16H,3-14,19-20H2,1-2H3
InChIKey IILZRNRJZPPHNX-UHFFFAOYSA-N
Mol Weight 404.5 g/mol
Molecular Formula C18H36N4O6
Exact Mass 404.263485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HTOiwcdy9WZ
Name 2-[16-(2-Aminopropanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-1-methyl-2-oxoethylamine
CAS Registry Number 93767-95-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H36N4O6
InChI InChI=1S/C18H36N4O6/c1-15(19)17(23)21-3-7-25-11-13-27-9-5-22(18(24)16(2)20)6-10-28-14-12-26-8-4-21/h15-16H,3-14,19-20H2,1-2H3
InChIKey IILZRNRJZPPHNX-UHFFFAOYSA-N
Molecular Weight 404.508 g/mol
SMILES NC(C(N1CCOCCOCCN(C(C(C)N)=O)CCOCCOCC1)=O)C
SPLASH splash10-0833-5960000000-7014b70c04d4b54f8f67
Source of Spectrum W5-1989-37168-28368
Synonyms 1,10-(R,R)-Bis(.alpha.-alanyl)-1,10-diaza-18-crown-6 1-(16-alanyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)-2-amino-propan-1-one 2-Amino-1-[16-(2-amino-1-oxopropyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-1-propanone 2-Amino-1-[16-(2-aminopropanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-1-one 2-Azanyl-1-[16-(2-azanylpropanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-1-one
Wiley ID 1371114